4-(dichloromethyl)-2-fluoro-1-methoxybenzene

C8H7Cl2FO — CID 150361147

IUPAC4-(dichloromethyl)-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(C(Cl)Cl)cc1F
InChIInChI=1S/C8H7Cl2FO/c1-12-7-3-2-5(8(9)10)4-6(7)11/h2-4,8H,1H3
InChIKeyGVSWKJMDABLILW-UHFFFAOYSA-N
MW209.05 g/mol
LogP3.31
Rot. Bonds2

About 4-(dichloromethyl)-2-fluoro-1-methoxybenzene

4-(dichloromethyl)-2-fluoro-1-methoxybenzene (PubChem CID 150361147) has the molecular formula C8H7Cl2FO and a molecular weight of 209.05 g/mol. Its IUPAC name is 4-(dichloromethyl)-2-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name4-(dichloromethyl)-2-fluoro-1-methoxybenzene
PubChem CID150361147
Molecular FormulaC8H7Cl2FO
Molecular Weight209.05 g/mol
Exact Mass207.99
IUPAC Name4-(dichloromethyl)-2-fluoro-1-methoxybenzene
SMILESCOc1ccc(C(Cl)Cl)cc1F
InChIInChI=1S/C8H7Cl2FO/c1-12-7-3-2-5(8(9)10)4-6(7)11/h2-4,8H,1H3
InChIKeyGVSWKJMDABLILW-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(1-chloro-2,2,2-trifluoroethyl)-2-fluoro-1-methoxybenzene
CID 61085047
4-[chloro-(4-iodophenyl)methyl]-2-fluoro-1-methoxybenzene
CID 63434160
2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene
CID 82879437
4-(1-chloro-2-methylbutyl)-2-fluoro-1-methoxybenzene
CID 61083454
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene
CID 149183279
4-bromo-2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427533

Frequently Asked Questions

What is the IUPAC name of 4-(dichloromethyl)-2-fluoro-1-methoxybenzene?
The IUPAC name of 4-(dichloromethyl)-2-fluoro-1-methoxybenzene (CID 150361147) is 4-(dichloromethyl)-2-fluoro-1-methoxybenzene.
What is the SMILES notation for 4-(dichloromethyl)-2-fluoro-1-methoxybenzene?
The canonical SMILES for 4-(dichloromethyl)-2-fluoro-1-methoxybenzene is COc1ccc(C(Cl)Cl)cc1F.
What is the InChIKey of 4-(dichloromethyl)-2-fluoro-1-methoxybenzene?
The InChIKey is GVSWKJMDABLILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO/c1-12-7-3-2-5(8(9)10)4-6(7)11/h2-4,8H,1H3.
What are the key properties of 4-(dichloromethyl)-2-fluoro-1-methoxybenzene?
4-(dichloromethyl)-2-fluoro-1-methoxybenzene has a molecular weight of 209.05 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dichloromethyl)-2-fluoro-1-methoxybenzene is sourced from PubChem (CID 150361147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).